Crystalline Phase Quantitation of Sintered Ore with Powder X-ray Diffractometry with Rietveld Refinement

Rietveld refinement of KLaTiO4 from X-ray powder data

Potassium lanthanum titanate(IV), KLaTiO(4), has been synthesized by conventional solid-state reaction. It crystallizes isotypically with the NaLnTiO(4) (Ln = La, Pr, Nd, Sm, Eu, Gd, Y and Lu) family. Five of the six atoms in the asymmetric unit (one K, one La, one Ti and two O atoms) are situated on sites with 4mm symmetry, whereas one O atom has 2mm. site symmetry. The crystal structure can b...

Estimation of purity of chrysotile asbestos by X-ray diffractometry/Rietveld refinement.

X-ray powder diffractometry/Rietveld refinement was employed to estimate the purity of several chrysotile powders for calibrating standards. α-Corundum powder was mixed into each chrysotile sample as an internal standard. X-ray diffractometry was performed on these mixtures, and the mass fractions of amorphous and impurity phase content were calculated using Rietveld refinement. The chrysotile ...

Characterization and quantitation of clarithromycin polymorphs by powder X-ray diffractometry and solid-state NMR spectroscopy.

Characterization of clarithromycin polymorph was performed by solid-state cross polarization and magic angle spinning (CP/MAS) 13C-NMR spectroscopy. Two polymorphs, form II and form I, of clarithromycins indicated characteristic resonances of C1 carbonyl carbon at 176.2 and 175.2 ppm, respectively. Since each peak of C1 carbon was well separated in the spectrum of the two polymorphs, we perform...

Rietveld refinement of AgCa10(PO4)7 from X-ray powder data

Polycrystalline silver(I) deca-calcium heptakis(orthophos-phate), AgCa10(PO4)7, was obtained by solid-state reaction. It is isotopic with members of the series MCa10(PO4)7 (M = Li, Na, K and Cs), and is closely related to the structure of β-Ca3(PO4)2. The crystal structure of the title compound is built up from a framework of [CaO9] and two [CaO8] polyhedra, one [CaO6] octa-hedron (site symmetr...

Automated parametric Rietveld refinement and its application to two- dimensional X-ray powder diffraction experiments